ethyl (3R,4R,5S)-4-azanyl-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-azanyl-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-5-(allylamino)-4-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-amino-3-pentan-3-yloxy-5-(prop-2-enylamino)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-amino-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-5-(allylamino)-4-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid ethyl ester Formula: C17H30N2O3 MolecularWeight: 310.4317

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1N)NCC=C)C(=O)OCC

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1N)NCC=C)C(=O)OCC

InChI

InChI=1S/C17H30N2O3/c1-5-9-19-14-10-12(17(20)21-8-4)11-15(16(14)18)22-13(6-2)7-3/h5,11,13-16,19H,1,6-10,18H2,2-4H3/t14-,15+,16+/m0/s1